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We report the synthesis and characterization of a novel class of ionic semiconductor materials- inorganic chalcogenide perovskites. Several different compounds including BaZrS3, CaZrS3, SrTiS3 and SrZrS3 were synthesized by high temperature…
The performance of perovskite solar cells recently exceeded 15% solar-to-electricity conversion efficiency for small-area devices. The fundamental properties of the active absorber layers, hybrid organic-inorganic perovskites formed from…
Indoor photovoltaics are receiving tremendous attention due to the continuous development of the Internet of Things (IoT). Here we report a triple anion (TA) perovskite CH3NH3PbI2.6(BrCl)0.2 with a tailored bandgap suitable for maximizing…
Organic-inorganic hybrid perovskite solar cells (PSC) have demonstrated impressive performance improvement. Among the various characteristics, the time-dependent current-voltage (J-V) hysteresis allows a direct exploration of various…
Nitrides feature many interesting properties, such as a wide range of bandgaps suitable for optoelectronic devices including light-emitting diodes (LEDs), and piezoelectric response used in microelectromechanical systems (MEMS). Nitrides…
Perovskite solar cells (PSCs) based on methylammonium lead iodide (MAPbI3) exhibit remarkable photovoltaic performance, where interface engineering with hole transport layers (HTLs) is crucial for optimizing charge transfer and device…
An ab-initio calculation in the framework of DFT, as implemented in the FHI-aims package within GGA with the pbe parameterization was carried out in this work. Although methyl ammonium lead iodide, (CH3NH3PbI3) has proven to be an effective…
Antimony sulfide is an emerging phase change material for optical and electrical memory and computation elements. It has additionally been reported as a ferroelectric, with recent evidence from hysteresis in piezoresponse force microscopy.…
The hybrid halide perovskite CH$_{3}$NH$_{3}$PbI$_{3}$ has enabled solar cells to reach an efficiency of about 18\%, demonstrating a pace for improvements with no precedents in the solar energy arena. Despite such explosive progress, the…
Recent research on perovskite solar cells has caught much attention for the application in renewable energy materials. However, the effect of external dopants on the performance of perovskite solar cell is yet to be understood properly.…
Antimony sulfide (Sb2S3) is a promising candidate as an absorber layer for single-junction solar cells and the top subcell in tandem solar cells. However, the power conversion efficiency of Sb2S3-based solar cells has remained stagnant over…
Despite the exceeding 23\% photovoltaic efficiency achieved in organic-inorganic hybrid perovskite solar cells obtaining, the stable materials with desirable band gap are rare and are highly desired. With the aid of first-principles…
While perovskite solar cells (PSCs) are now reaching high power conversion efficiencies (PCEs), further performance improvement requires a fine management and an optimization of the light pathway and harvesting in the cells. These go…
The Shockley and Queisser limit, a well-known efficiency limit for a solar cell, is based on unrealistic physical assumptions and its maximum limit is seriously overestimated. To understand the power loss mechanisms of record-efficiency…
Poly(3,4-ethylenedioxythiophene):polystyrenesulfonate (PEDOT:PSS) has been widely used as a hole transport layer in perovskite solar cells (PSCs). However, the high interface defect density and energy level mismatch between PEDOT:PSS and…
Chalcogenide phase-change materials (PCMs) are widely applied in electronic and photonic applications, such as non-volatile memory and neuro-inspired computing. Doped Sb$_2$Te alloys are now gaining increasing attention for on-chip photonic…
In the last decade the ns$^2$ cations (e.g., Pb$^{2+}$ and Sn$^{2+}$) based halides have emerged as one of the most exciting new classes of optoelectronic materials, as exemplified by for instance hybrid perovskite solar absorbers. These…
Chalcogenide perovskites have been recently under the researchers spotlight as novel absorber materials for photovoltaic applications. BaZrS$_3$, the most investigated compound of this family, shows a high absorption coefficient, a bandgap…
Renewable energy sources are of great interest to combat global warming, yet promising sources like photovoltaic (PV) cells are not efficient and cheap enough to act as an alternative to traditional energy sources. Perovskite has high…
Recently, an aziridinium lead iodide perovskite was proposed as a possible solar cell absorber material. We investigated the stability of this material using a density-functional theory with an emphasis on the ring strain associated with…